3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride

C18H22ClNO — CID 68921723

IUPAC3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride
SMILESCc1ccc(-c2ccccc2COC2CCNC2)cc1.Cl
InChIInChI=1S/C18H21NO.ClH/c1-14-6-8-15(9-7-14)18-5-3-2-4-16(18)13-20-17-10-11-19-12-17;/h2-9,17,19H,10-13H2,1H3;1H
InChIKeyDEIZDGJFSRSCLM-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.96
Rot. Bonds4

About 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride

3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride (PubChem CID 68921723) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride
PubChem CID68921723
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride
SMILESCc1ccc(-c2ccccc2COC2CCNC2)cc1.Cl
InChIInChI=1S/C18H21NO.ClH/c1-14-6-8-15(9-7-14)18-5-3-2-4-16(18)13-20-17-10-11-19-12-17;/h2-9,17,19H,10-13H2,1H3;1H
InChIKeyDEIZDGJFSRSCLM-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride?
The IUPAC name of 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride (CID 68921723) is 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride.
What is the SMILES notation for 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride?
The canonical SMILES for 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride is Cc1ccc(-c2ccccc2COC2CCNC2)cc1.Cl.
What is the InChIKey of 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride?
The InChIKey is DEIZDGJFSRSCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.ClH/c1-14-6-8-15(9-7-14)18-5-3-2-4-16(18)13-20-17-10-11-19-12-17;/h2-9,17,19H,10-13H2,1H3;1H.
What are the key properties of 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride?
3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride is sourced from PubChem (CID 68921723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).